Pacidamycin d
AlkaPlorer ID: AK007401
Synonym: 'CHEMBL419386'
IUPAC Name: (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-1-[[(2R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methylamino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: C[C@H](N=C(O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O)C(O)=N[C@H](C(O)=NC[C@H]1C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)[C@H](C)N(C)C(=O)[C@@H](N)CC1=CC=C(O)C=C1
InChI: InChI=1S/C38H47N9O11/c1-19(42-37(56)43-28(36(54)55)15-22-17-40-27-7-5-4-6-25(22)27)32(51)45-31(20(2)46(3)34(53)26(39)14-21-8-10-23(48)11-9-21)33(52)41-18-24-16-29(49)35(58-24)47-13-12-30(50)44-38(47)57/h4-13,17,19-20,24,26,28-29,31,35,40,48-49H,14-16,18,39H2,1-3H3,(H,41,52)(H,45,51)(H,54,55)(H2,42,43,56)(H,44,50,57)/t19-,20-,24+,26-,28-,29+,31-,35+/m0/s1
InChIKey: HKPRQZOLLXYDJX-KOGPLRHPSA-N
Reference
New Pacidamycins Produced by Streptomyces coeruleorubidus, NRRL 18370.
PubChem CID: 44340968
LOTUS: LTS0254465
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 805.846
TPSA？: 314.03
MolLogP？: 1.0707000000000044
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 256.0 | ug.mL-1 | 10.1016/s0960-894x(03)00682-6 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 30.0 | ug.mL-1 | 10.1016/s0960-894x(03)00682-6 |
| Pasteurella multocida | Pasteurella multocida | MIC | 128.0 | ug.mL-1 | 10.1016/s0960-894x(03)00682-6 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 16.0 | ug.mL-1 | 10.1016/s0960-894x(03)00682-6 |